Dataset

Flavanole base + 3O, 2Prenyl

This MassBank record with Accession MSBNK-RIKEN-PR310770 contains the MS2 mass spectrum of Flavanole base + 3O, 2Prenyl with the InChIkey LAQLCZKPJGMFRM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H28O5/c1-14(2)5-7-16-13-17(8-11-20(16)26)24-23(29)22(28)19-10-12-21(27)18(25(19)30-24)9-6-15(3)4/h5-6,8,10-13,23-24,26-27,29H,7,9H2,1-4H3
SMILES O=C2C=3C=CC(O)=C(C=3(OC(C1=CC=C(O)C(=C1)CC=C(C)C)C2(O)))CC=C(C)C
InChI Key LAQLCZKPJGMFRM-UHFFFAOYSA-N
Molecular Formula C25H28O5
Exact Mass 408.494 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310770
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:40:10.495398
MetadataModified 2025-02-09T18:10:49.179364
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70125663 NMRShiftDB
78190875 PubChem
HMDB0029532 Human Metabolome Database
J640.384K Nikkaji
CHEMBL4203476 ChEMBL
The data in this table is sourced from UniChem at EBI.